4-[2-[2-[1-(4-oxidanidyl-4-oxidanylidene-butyl)pyridin-1-ium-2-yl]oxyethoxy]pyridin-1-ium-1-yl]butanoate

Systemtic Name: 4-[2-[2-[1-(4-oxidanidyl-4-oxidanylidene-butyl)pyridin-1-ium-2-yl]oxyethoxy]pyridin-1-ium-1-yl]butanoate Openeye Name: 4-[2-[2-[1-(4-oxido-4-oxo-butyl)pyridin-1-ium-2-yl]oxyethoxy]pyridin-1-ium-1-yl]butanoate CAS Name: 4-[2-[2-[[1-(4-oxido-4-oxobutyl)-2-pyridin-1-iumyl]oxy]ethoxy]-1-pyridin-1-iumyl]butanoate IUPAC Name: 4-[2-[2-[1-(4-oxido-4-oxobutyl)pyridin-1-ium-2-yl]oxyethoxy]pyridin-1-ium-1-yl]butanoate Traditional Name: 4-[2-[2-[1-(4-keto-4-oxido-butyl)pyridin-1-ium-2-yl]oxyethoxy]pyridin-1-ium-1-yl]butyrate Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)OCCOC2=CC=CC=[N+]2CCCC(=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)OCCOC2=CC=CC=[N+]2CCCC(=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C20H24N2O6/c23-19(24)9-5-13-21-11-3-1-7-17(21)27-15-16-28-18-8-2-4-12-22(18)14-6-10-20(25)26/h1-4,7-8,11-12H,5-6,9-10,13-16H2